2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide

C13H21N5O2 — CID 62939511

IUPAC2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCCn1ccnc(NC2CCN(CC(N)=O)CC2)c1=O
InChIInChI=1S/C13H21N5O2/c1-2-18-8-5-15-12(13(18)20)16-10-3-6-17(7-4-10)9-11(14)19/h5,8,10H,2-4,6-7,9H2,1H3,(H2,14,19)(H,15,16)
InChIKeyXGFCGACLSHHMBI-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.38
Rot. Bonds5

About 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide

2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide (PubChem CID 62939511) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide
PubChem CID62939511
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCCn1ccnc(NC2CCN(CC(N)=O)CC2)c1=O
InChIInChI=1S/C13H21N5O2/c1-2-18-8-5-15-12(13(18)20)16-10-3-6-17(7-4-10)9-11(14)19/h5,8,10H,2-4,6-7,9H2,1H3,(H2,14,19)(H,15,16)
InChIKeyXGFCGACLSHHMBI-UHFFFAOYSA-N
XLogP-0.38
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide (CID 62939511) is 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide is CCn1ccnc(NC2CCN(CC(N)=O)CC2)c1=O.
What is the InChIKey of 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is XGFCGACLSHHMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-18-8-5-15-12(13(18)20)16-10-3-6-17(7-4-10)9-11(14)19/h5,8,10H,2-4,6-7,9H2,1H3,(H2,14,19)(H,15,16).
What are the key properties of 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 62939511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).